(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate

C10H8N2O7 — CID 59459663

IUPAC(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate
SMILESO=C(OCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H8N2O7/c13-6-1-2-7(14)11(6)5-18-10(17)19-12-8(15)3-4-9(12)16/h1-2H,3-5H2
InChIKeyGXYKKGKMHPACOV-UHFFFAOYSA-N
MW268.18 g/mol
LogP-0.91
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate

(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate (PubChem CID 59459663) has the molecular formula C10H8N2O7 and a molecular weight of 268.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate
PubChem CID59459663
Molecular FormulaC10H8N2O7
Molecular Weight268.18 g/mol
Exact Mass268.03
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate
SMILESO=C(OCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H8N2O7/c13-6-1-2-7(14)11(6)5-18-10(17)19-12-8(15)3-4-9(12)16/h1-2H,3-5H2
InChIKeyGXYKKGKMHPACOV-UHFFFAOYSA-N
XLogP-0.91
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate (CID 59459663) is (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate is O=C(OCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate?
The InChIKey is GXYKKGKMHPACOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O7/c13-6-1-2-7(14)11(6)5-18-10(17)19-12-8(15)3-4-9(12)16/h1-2H,3-5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate?
(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate has a molecular weight of 268.18 g/mol, XLogP of -0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate is sourced from PubChem (CID 59459663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).